SCHEMBL3494949

SCHEMBL3494949

CN1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)ncc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.64
SYK P43405 6/20 0.57
EGFR P00533 3/20 0.57
ERBB2 P04626 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
BRD4 O60885 3/20 0.56
SIK1 P57059 2/20 0.55
SIK2 Q9H0K1 2/20 0.55
SIK3 Q9Y2K2 2/20 0.55
TNK2 Q07912 3/20 0.53
KDR P35968 2/20 0.53
AXL P30530 2/20 0.53
FLT3 P36888 2/20 0.53
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53
JAK2 O60674 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
LCK P06239 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12952094 0.95 SYK (0.59) BCL6SYKEGFRERBB2HPGD
Hydrochloric Acid SCHEMBL27662179 0.94 SYK (0.61) BCL6SYKEGFRERBB2HPGD
Hydrochloric Acid SCHEMBL27662239 0.93 SYK (0.58) BCL6SYKEGFRERBB2HPGD
SCHEMBL3497092 0.91 BCL6 (0.54) BCL6SYKEGFRERBB2HPGD
SCHEMBL3496792 0.89 SYK (0.53) BCL6SYKEGFRERBB2HPGD
SCHEMBL1743511 0.88 BRD4 (0.52) BCL6SYKEGFRERBB2BRD4
SCHEMBL3496946 0.88 CDK2 (0.57) BCL6SYKEGFRERBB2BRD4
SCHEMBL3495504 0.88 EGFR (0.56) BCL6SYKEGFRERBB2BRD4
SCHEMBL3496618 0.87 BRD4 (0.51) BCL6SYKEGFRERBB2BRD4
SCHEMBL12952347 0.85 FLT3 (0.63) SYKEGFRERBB2BRD4SIK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ BCL6 3211/4885SYK 460/4885EGFR 1181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.